N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide

C17H13BrN2O — CID 62044989

IUPACN-(4-bromo-2-methylphenyl)quinoline-6-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H13BrN2O/c1-11-9-14(18)5-7-15(11)20-17(21)13-4-6-16-12(10-13)3-2-8-19-16/h2-10H,1H3,(H,20,21)
InChIKeyFQMNKGVJSDBZHP-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.56
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide

N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide (PubChem CID 62044989) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)quinoline-6-carboxamide
PubChem CID62044989
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC NameN-(4-bromo-2-methylphenyl)quinoline-6-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H13BrN2O/c1-11-9-14(18)5-7-15(11)20-17(21)13-4-6-16-12(10-13)3-2-8-19-16/h2-10H,1H3,(H,20,21)
InChIKeyFQMNKGVJSDBZHP-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-(4-chloro-2-methylphenyl)quinoline-7-carboxamide
CID 142343740
N-[3-[(3-hydroxybenzoyl)amino]-4-methylphenyl]quinoline-6-carboxamide
CID 18422129
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
N-(3-amino-4-bromophenyl)quinoline-6-carboxamide
CID 79754299
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide (CID 62044989) is N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide?
The InChIKey is FQMNKGVJSDBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-9-14(18)5-7-15(11)20-17(21)13-4-6-16-12(10-13)3-2-8-19-16/h2-10H,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide?
N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 62044989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).